ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009004
RECORD_TITLE: DIPROPYL MALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DIPROPYL MALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₄
CH$EXACT_MASS: 188.10486
CH$SMILES: CCCOC(=O)CC(=O)OCCC
CH$IUPAC: InChI=1S/C9H16O4/c1-3-5-12-8(10)7-9(11)13-6-4-2/h3-7H2,1-2H3
CH$LINK: INCHIKEY LWIWFCDNJNZEKB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90333753

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9400000000-fed9a401809145c541bd
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 1.88 19
  26 1.54 15
  27 25.1 251
  29 6.74 67
  31 12.72 127
  39 8.05 81
  41 26.97 270
  42 28.15 282
  43 99.99 999
  44 1.31 13
  57 4.5 45
  59 4.79 48
  60 9.78 98
  61 7.9 79
  69 3.44 34
  87 30.24 302
  102 1.77 18
  105 59.52 595
  106 1.68 17
  129 50.41 504
  130 3.19 32
  147 6.78 68
//